5-chloro-2-{[4-(2,4-dimethylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole
Chemical Structure Depiction of
5-chloro-2-{[4-(2,4-dimethylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole
5-chloro-2-{[4-(2,4-dimethylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole
Compound characteristics
| Compound ID: | F874-0133 |
| Compound Name: | 5-chloro-2-{[4-(2,4-dimethylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole |
| Molecular Weight: | 419.93 |
| Molecular Formula: | C20 H22 Cl N3 O3 S |
| Smiles: | Cc1ccc(c(C)c1)S(N1CCN(CC1)Cc1nc2cc(ccc2o1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1606 |
| logD: | 4.1605 |
| logSw: | -4.2659 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.237 |
| InChI Key: | JOZSZDZVPCIMCC-UHFFFAOYSA-N |